Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 16 results

Search term: MQLRYUCJDNBWMV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4589562

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1
C14H15N5O5S2397.42946970291
4589080

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7+/t8-,12-/m1/s1
C14H15N5O5S2397.4294114500
24824281

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/t8-,12-/m1/s1
C14H15N5O5S2397.42948600
10805043

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7+
C14H15N5O5S2397.429479800
26470509

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)
C14H15N5O5S2397.42946700
28552699

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7-
C14H15N5O5S2397.42944300
23089542

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12+/m1/s1
C14H15N5O5S2397.42944100
77499020

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7+/t8-,12-/m1/s1/i2D3
C14H12D3N5O5S2400.44793300
58778650

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1/i2D3
C14H12D3N5O5S2400.44792500
68025211

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7+/t8?,12-/m0/s1
C14H15N5O5S2397.42941100
75531278

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7+/t8?,12-/m1/s1
C14H15N5O5S2397.42941100
78432915

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/t8?,12-/m0/s1
C14H15N5O5S2397.42941100
78433040

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/t8-,12+/m1/s1
C14H15N5O5S2397.42941100
95709539

Charge

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/p-1/b18-7+
C14H14N5O5S2396.4221100

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